N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine

C20H15Cl2NO — CID 2197856

IUPACN-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESClc1cc(Cl)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C20H15Cl2NO/c21-17-10-18(22)12-19(11-17)23-13-16-7-4-8-20(9-16)24-14-15-5-2-1-3-6-15/h1-13H,14H2/b23-13+
InChIKeyQFDPEIIWLLTOKU-YDZHTSKRSA-N
MW356.25 g/mol
LogP6.32
Rot. Bonds5

About N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine

N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine (PubChem CID 2197856) has the molecular formula C20H15Cl2NO and a molecular weight of 356.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
PubChem CID2197856
Molecular FormulaC20H15Cl2NO
Molecular Weight356.25 g/mol
Exact Mass355.05
IUPAC NameN-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESClc1cc(Cl)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C20H15Cl2NO/c21-17-10-18(22)12-19(11-17)23-13-16-7-4-8-20(9-16)24-14-15-5-2-1-3-6-15/h1-13H,14H2/b23-13+
InChIKeyQFDPEIIWLLTOKU-YDZHTSKRSA-N
XLogP6.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.25
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126218396
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126214778
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)methanimine
CID 932077
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
N-[1-(3-chlorophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 22483302
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 4511482
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine (CID 2197856) is N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine is Clc1cc(Cl)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The InChIKey is QFDPEIIWLLTOKU-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15Cl2NO/c21-17-10-18(22)12-19(11-17)23-13-16-7-4-8-20(9-16)24-14-15-5-2-1-3-6-15/h1-13H,14H2/b23-13+.
What are the key properties of N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine?
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine has a molecular weight of 356.25 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 2197856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).